(Z)-1-chloro-1-diethoxyphosphorylhept-1-ene

C11H22ClO3P — CID 134992849

IUPAC(Z)-1-chloro-1-diethoxyphosphorylhept-1-ene
SMILESCCCCC/C=C(\Cl)P(=O)(OCC)OCC
InChIInChI=1S/C11H22ClO3P/c1-4-7-8-9-10-11(12)16(13,14-5-2)15-6-3/h10H,4-9H2,1-3H3/b11-10+
InChIKeyZAOJDIJTOBNXMW-ZHACJKMWSA-N
MW268.72 g/mol
LogP4.91
Rot. Bonds9

About (Z)-1-chloro-1-diethoxyphosphorylhept-1-ene

(Z)-1-chloro-1-diethoxyphosphorylhept-1-ene (PubChem CID 134992849) has the molecular formula C11H22ClO3P and a molecular weight of 268.72 g/mol. Its IUPAC name is (Z)-1-chloro-1-diethoxyphosphorylhept-1-ene.

Molecular Properties

Compound Name(Z)-1-chloro-1-diethoxyphosphorylhept-1-ene
PubChem CID134992849
Molecular FormulaC11H22ClO3P
Molecular Weight268.72 g/mol
Exact Mass268.10
IUPAC Name(Z)-1-chloro-1-diethoxyphosphorylhept-1-ene
SMILESCCCCC/C=C(\Cl)P(=O)(OCC)OCC
InChIInChI=1S/C11H22ClO3P/c1-4-7-8-9-10-11(12)16(13,14-5-2)15-6-3/h10H,4-9H2,1-3H3/b11-10+
InChIKeyZAOJDIJTOBNXMW-ZHACJKMWSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.72
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[Chloro(diethoxyphosphoryl)methylidene]cyclohexane
CID 10355595
(E)-1-chloro-1-diethoxyphosphoryloct-1-ene
CID 134933959
(Z)-1-chloro-1-diethoxyphosphoryloct-1-ene
CID 10850509
(E)-1-chloro-1-diethoxyphosphorylhept-1-ene
CID 10923566
1-Diethoxyphosphorylocta-1,2-diene
CID 13016165
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346
1-Chloroocta-2,3-dien-4-yl(diethoxy)phosphane
CID 90982024
(2-Chloro-2-diethoxyphosphorylethenylidene)cyclohexane
CID 134922007
1-Diethoxyphosphoryl-1-fluoroocta-1,2-diene
CID 10611631
7-[Chloro(ethoxy)phosphoryl]hept-1-ene
CID 10353603
1-Chloro-1-diethoxyphosphorylbut-1-ene
CID 176894708

Frequently Asked Questions

What is the IUPAC name of (Z)-1-chloro-1-diethoxyphosphorylhept-1-ene?
The IUPAC name of (Z)-1-chloro-1-diethoxyphosphorylhept-1-ene (CID 134992849) is (Z)-1-chloro-1-diethoxyphosphorylhept-1-ene.
What is the SMILES notation for (Z)-1-chloro-1-diethoxyphosphorylhept-1-ene?
The canonical SMILES for (Z)-1-chloro-1-diethoxyphosphorylhept-1-ene is CCCCC/C=C(\Cl)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-1-chloro-1-diethoxyphosphorylhept-1-ene?
The InChIKey is ZAOJDIJTOBNXMW-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H22ClO3P/c1-4-7-8-9-10-11(12)16(13,14-5-2)15-6-3/h10H,4-9H2,1-3H3/b11-10+.
What are the key properties of (Z)-1-chloro-1-diethoxyphosphorylhept-1-ene?
(Z)-1-chloro-1-diethoxyphosphorylhept-1-ene has a molecular weight of 268.72 g/mol, XLogP of 4.91, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-chloro-1-diethoxyphosphorylhept-1-ene is sourced from PubChem (CID 134992849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).